N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine

C17H18Cl2IN — CID 115840283

IUPACN-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1Cl)c1ccc(I)cc1
InChIInChI=1S/C17H18Cl2IN/c1-2-9-21-17(12-4-7-15(20)8-5-12)10-13-3-6-14(18)11-16(13)19/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeyDMGSDNLWHCGKNW-UHFFFAOYSA-N
MW434.15 g/mol
LogP5.88
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine

N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine (PubChem CID 115840283) has the molecular formula C17H18Cl2IN and a molecular weight of 434.15 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
PubChem CID115840283
Molecular FormulaC17H18Cl2IN
Molecular Weight434.15 g/mol
Exact Mass432.99
IUPAC NameN-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1Cl)c1ccc(I)cc1
InChIInChI=1S/C17H18Cl2IN/c1-2-9-21-17(12-4-7-15(20)8-5-12)10-13-3-6-14(18)11-16(13)19/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeyDMGSDNLWHCGKNW-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.15
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 63528586
N-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360582
N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806129
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 115863090
N-[1-(3,4-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65478104
1-(4-chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840151
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
N-[2-(2-bromo-5-fluorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115843853
N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 63968753

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine (CID 115840283) is N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1Cl)c1ccc(I)cc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine?
The InChIKey is DMGSDNLWHCGKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2IN/c1-2-9-21-17(12-4-7-15(20)8-5-12)10-13-3-6-14(18)11-16(13)19/h3-8,11,17,21H,2,9-10H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine?
N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine has a molecular weight of 434.15 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115840283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).